2-bromanyl-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-1H-indole

Systemtic Name: 2-bromanyl-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-1H-indole Openeye Name: 2-bromo-3-[[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-1H-indole CAS Name: 2-bromo-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-1H-indole IUPAC Name: 2-bromo-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-1H-indole Traditional Name: 2-bromo-3-[[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-1H-indole Formula: C21H28BrN3O3 MolecularWeight: 450.36932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(C(=NC1CC2=C(NC3=C2C=CC(=C3)OC)Br)OCC)C(C)C

Isomeric SMILES

CCOC1=N[C@@H](C(=N[C@H]1CC2=C(NC3=C2C=CC(=C3)OC)Br)OCC)C(C)C

InChI

InChI=1S/C21H28BrN3O3/c1-6-27-20-17(24-21(28-7-2)18(25-20)12(3)4)11-15-14-9-8-13(26-5)10-16(14)23-19(15)22/h8-10,12,17-18,23H,6-7,11H2,1-5H3/t17-,18+/m0/s1